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INSTALL.md

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WFES2

Installation

Currently, wfes2 is supported on linux and macos systems. The installation is done trhough conda.

Conda setup

If you do no have conda installed, go here and follow the installation instructions for your platform. Otherwise, proceed to the next step.

Conda environment setup

Create a new isolated conda environment by using platform-appropriate file:

conda env create -f conda-env-linux.yaml # linux

conda env create -f conda-env-macos.yaml # macos

This should install the necessary libraries. Now, activate the environment with:

conda activate wfes

You would have to repeat this step for every new shell session you open.

Install all the packages directly into base

Alternatively, if you do not want to use a separate conda environment, you can install the dependencies into the base env:

#linux
conda install mkl mkl-include eigen gxx_linux-64
#macos
conda install mkl mkl-include eigen clangxx_osx-64

MacOS caveats

Since MacOS thinks different, you woulb need to install the compiler yourself. In general, this should be sufficient:

xcode-select --install

Compiling

With the dependencies in place, simply:

make all

This creates a bin directory, with multiple executables ready to use.

Run the tests

The test target will be built by make all:

bin/wfes_test

If all is well, you should see this:

===============================================================================
All tests passed (XX assertions in xx test cases)